1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

C13H23N3O4S — CID 53383319

IUPAC1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CC1
InChIInChI=1S/C13H23N3O4S/c1-9(2)14-12(18)13(3)8-15(21(4,19)20)7-11(17)16(13)10-5-6-10/h9-10H,5-8H2,1-4H3,(H,14,18)
InChIKeyPYEPXZSTWORQPU-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.46
Rot. Bonds4

About 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 53383319) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID53383319
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CC1
InChIInChI=1S/C13H23N3O4S/c1-9(2)14-12(18)13(3)8-15(21(4,19)20)7-11(17)16(13)10-5-6-10/h9-10H,5-8H2,1-4H3,(H,14,18)
InChIKeyPYEPXZSTWORQPU-UHFFFAOYSA-N
XLogP-0.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (CID 53383319) is 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is CC(C)NC(=O)C1(C)CN(S(C)(=O)=O)CC(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is PYEPXZSTWORQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-9(2)14-12(18)13(3)8-15(21(4,19)20)7-11(17)16(13)10-5-6-10/h9-10H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 53383319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).